[4-[(1-methylpyrazol-3-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(1-methylpyrazol-3-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(1-methylpyrazol-3-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(1-methyl-3-pyrazolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(1-methylpyrazol-3-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(1-methylpyrazol-3-yl)carbamoyl]phenyl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NN(C=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NN(C=C3)C

InChI

InChI=1S/C19H19N3O4S/c1-13-4-5-14(2)17(12-13)27(24,25)26-16-8-6-15(7-9-16)19(23)20-18-10-11-22(3)21-18/h4-12H,1-3H3,(H,20,21,23)